⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21160864 | 0.77 | CXCR5 (0.34) | — | |
| SCHEMBL25572076 | 0.72 | GAA (0.41) | — | |
| SCHEMBL19849061 | 0.70 | CD44 (0.33) | — | |
| SCHEMBL25957148 | 0.70 | MMP1 (0.33) | — | |
| SCHEMBL22766278 | 0.67 | TGM2 (0.36) | — | |
| SCHEMBL12344947 | 0.67 | TGM2 (0.43) | — | |
| SCHEMBL23315095 | 0.66 | TGM2 (0.31) | — | |
| SCHEMBL18401947 | 0.65 | KMT2A (0.35) | — | |
| SCHEMBL23485653 | 0.65 | KMT2A (0.49) | — | |
| SCHEMBL20011653 | 0.64 | ALDH1A1 (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10562876-B2 | Organic compounds for organic light-emitting diode and organic light-emitting diode including the same | SFC CO., LTD. (KR) | 2020-02-18 | — | — | US | disclosed |